SCHEMBL1685573

SCHEMBL1685573

C=CC=C(CCCC)CCCC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
ALDH1A1 P00352 4/20 0.38
CES1 P23141 3/20 0.38
CES2 O00748 2/20 0.38
TP53 P04637 1/20 0.35
CA1 P00915 1/20 0.33
FAAH O00519 1/20 0.32
HPGD P15428 1/20 0.32
ANPEP P15144 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30
LMNA P02545 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2705446 0.92 CES2 (0.40) TSHRALDH1A1CES1CES2FAAH
SCHEMBL3643422 0.90 TSHR (0.35) TSHRALDH1A1CES1CES2TP53
SCHEMBL21413039 0.90 TSHR (0.42) TSHRALDH1A1CES1CES2FAAH
SCHEMBL21413022 0.90 TSHR (0.42) TSHRALDH1A1CES1CES2FAAH
SCHEMBL3643419 0.90 TSHR (0.35) TSHRALDH1A1CES1CES2TP53
SCHEMBL9903673 0.89 ALDH1A1 (0.31) TSHRALDH1A1CES1CES2
SCHEMBL9903674 0.89 ALDH1A1 (0.31) TSHRALDH1A1CES1CES2
SCHEMBL9378907 0.83 TSHR (0.32) TSHRCES1CES2
SCHEMBL30853834 0.83 CES1 (0.45) TSHRALDH1A1CES1CES2TP53
SCHEMBL11463038 0.81 TSHR (0.40) TSHRALDH1A1CES1CES2FAAH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307468-B1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN ISOTACTIC COPOLYMER OBTAINED BY HOMOGENOUS CATALYSIS PIRELLI (IT) 2012-06-13 EP claimed
EP-2307468-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN ISOTACTIC COPOLYMER OBTAINED BY HOMOGENOUS CATALYSIS Pirelli Tyre S.P.A. (IT) 2011-04-13 EP claimed
WO-2010006655-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN ISOTACTIC COPOLYMER OBTAINED BY HOMOGENOUS CATALYSIS PIRELLI TYRE S.P.A. (IT) 2010-01-21 WO claimed
EP-2307468-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN ISOTACTIC COPOLYMER OBTAINED BY HOMOGENOUS CATALYSIS Pirelli Tyre S.P.A. (IT) 2011-04-13 EP disclosed
WO-2010006655-A1 TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN ISOTACTIC COPOLYMER OBTAINED BY HOMOGENOUS CATALYSIS PIRELLI TYRE S.P.A. (IT) 2010-01-21 WO disclosed
US-4925987-A CATALYSIS WITH METAL OXIDES; DECYCLIZATION, CARBONYLATION; CHEMICAL INTERMEDIATES EASTMAN KODAK COMPANY (US) 1990-05-15 US disclosed